Monomers

4,4-Dimethyl-2-vinyloxazol-5(4H)-one

Identifiers

IUPAC name
2-ethenyl-4,4-dimethyl-1,3-oxazol-5-one
InchI
InChI=1S/C7H9NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H,1H2,2-3H3
InchI Key
QKPKBBFSFQAMIY-UHFFFAOYSA-N
SMILES
C=CC1=NC(C(=O)O1)(C)C
Canonical SMILES
CC1(C(=O)OC(=N1)C=C)C
Isomeric SMILES
CC1(C(=O)OC(=N1)C=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
38.66
MolLogP
0.9063
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.4706   -0.6057    0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5683    0.2467   -0.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326   -0.0426   -0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2253    0.7412   -0.4953 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0640    0.1609   -0.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7529   -1.1198    0.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5378   -2.0165    0.7629 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6258   -1.1990    0.4531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8674    1.0850    0.6066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7105   -0.0973   -1.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5083   -0.3358    0.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1268   -1.5355    0.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9049    1.1944   -0.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2672    1.3392    1.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8774    0.7174    0.8343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9973    2.0372    0.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5218   -0.8299   -1.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9297   -0.5806   -2.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0364    0.8408   -2.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  5 10  1  0
  8  3  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  9 14  1  0
  9 15  1  0
  9 16  1  0
 10 17  1  0
 10 18  1  0
 10 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers